| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| June 8th, 2011 | 22 | No |
Popular Name: 1-methyl-6-oxo-N-[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]-2,3-dihydropyridine-4-carboxamide 1-methyl-6-oxo-N-[3-(2-pyridyl)-…
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -0.01 | 4.03 | -54.08 | 1 | 8 | -1 | 110 | 297.298 | 3 | ↓ |
| Hi High (pH 8-9.5) | -0.20 | 5.33 | -58.47 | 1 | 8 | -1 | 102 | 297.298 | 3 | ↓ |
| Mid Mid (pH 6-8) | -0.01 | 3.65 | -141.68 | 0 | 8 | -2 | 109 | 296.29 | 3 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![4-[[3-(2-pyridyl)-1H-1,2,4-triazol-5-yl]iminomethyl]-2,3-dihydro-1H-pyridin-6-one](http://zinc12.docking.org/img/rings/360898.gif)